6-acetamido-N-[2-(methoxymethyl)oxolan-3-yl]hexanamide

C14H26N2O4 — CID 20762870

IUPAC6-acetamido-N-[2-(methoxymethyl)oxolan-3-yl]hexanamide
SMILESCOCC1OCCC1NC(=O)CCCCCNC(C)=O
InChIInChI=1S/C14H26N2O4/c1-11(17)15-8-5-3-4-6-14(18)16-12-7-9-20-13(12)10-19-2/h12-13H,3-10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyITFKBOIUYJUURC-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.60
Rot. Bonds9

About 6-acetamido-N-[2-(methoxymethyl)oxolan-3-yl]hexanamide

6-acetamido-N-[2-(methoxymethyl)oxolan-3-yl]hexanamide (PubChem CID 20762870) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 6-acetamido-N-[2-(methoxymethyl)oxolan-3-yl]hexanamide.

Molecular Properties

Compound Name6-acetamido-N-[2-(methoxymethyl)oxolan-3-yl]hexanamide
PubChem CID20762870
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name6-acetamido-N-[2-(methoxymethyl)oxolan-3-yl]hexanamide
SMILESCOCC1OCCC1NC(=O)CCCCCNC(C)=O
InChIInChI=1S/C14H26N2O4/c1-11(17)15-8-5-3-4-6-14(18)16-12-7-9-20-13(12)10-19-2/h12-13H,3-10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyITFKBOIUYJUURC-UHFFFAOYSA-N
XLogP0.60
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-[2-(methoxymethyl)oxolan-3-yl]hexanamide?
The IUPAC name of 6-acetamido-N-[2-(methoxymethyl)oxolan-3-yl]hexanamide (CID 20762870) is 6-acetamido-N-[2-(methoxymethyl)oxolan-3-yl]hexanamide.
What is the SMILES notation for 6-acetamido-N-[2-(methoxymethyl)oxolan-3-yl]hexanamide?
The canonical SMILES for 6-acetamido-N-[2-(methoxymethyl)oxolan-3-yl]hexanamide is COCC1OCCC1NC(=O)CCCCCNC(C)=O.
What is the InChIKey of 6-acetamido-N-[2-(methoxymethyl)oxolan-3-yl]hexanamide?
The InChIKey is ITFKBOIUYJUURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-11(17)15-8-5-3-4-6-14(18)16-12-7-9-20-13(12)10-19-2/h12-13H,3-10H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 6-acetamido-N-[2-(methoxymethyl)oxolan-3-yl]hexanamide?
6-acetamido-N-[2-(methoxymethyl)oxolan-3-yl]hexanamide has a molecular weight of 286.37 g/mol, XLogP of 0.60, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-[2-(methoxymethyl)oxolan-3-yl]hexanamide is sourced from PubChem (CID 20762870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).